BDBM15365 3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole::4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol::CCT018159 analog 4

SMILES: COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O

InChI Key: InChIKey=GSBFARPNIZUMHA-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs match this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 15365   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM15365 (3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-meth...) Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O Show InChI InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.4	22
Vernalis (R&D) Ltd					Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...				J Med Chem 48: 4212-5 (2005) Article DOI: 10.1021/jm050355z BindingDB Entry DOI: 10.7270/Q2WQ0216
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell cycle histidine kinase CckA (Caulobacter vibrioides)	BDBM15365 (3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-meth...) Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O Show InChI InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM15365 (3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-meth...) Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O Show InChI InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PDHK1 (unknown origin)				J Med Chem 57: 9832-43 (2014) Article DOI: 10.1021/jm5010144 BindingDB Entry DOI: 10.7270/Q2P270R1
					More data for this Ligand-Target Pair